1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

C188H181F3N50O24 — CID 159032507

About 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide

1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (PubChem CID 159032507) has the molecular formula C188H181F3N50O24 and a molecular weight of 3581.84 g/mol. Its IUPAC name is 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• PubChem CID: 159032507
• Molecular Formula: C188H181F3N50O24
• Molecular Weight: 3581.84 g/mol
• Exact Mass: 3579.44
• IUPAC Name: 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide
• SMILES: C=CC(=O)N1CCOc2ccc(Nc3nc(Nc4ccc(N5CCOCC5)cc4)ncc3C(C)=O)cc21.C=CC(=O)N1CCOc2ccc(Nc3nc(Nc4ccc(N5CCOCC5)nc4)ncc3C(C)=O)cc21.C=CC(=O)N1CCOc2ccc(Nc3nc(Nc4ccc(OC)nc4)ncc3C(C)=O)cc21.C=CC(=O)N1CCc2ccc(Nc3nc(Nc4ccc(OC)nc4)ncc3F)cc21.C=CC(=O)N1Cc2ccc(Nc3nc(Nc4ccc(OC)nc4)ncc3F)cc2C1.C=CC(=O)Nc1cccc(N(C(=O)C=C)c2nc(Nc3ccc(OC)nc3)ncc2C#N)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC)nc3)ncc2C2CC2)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCCN4CCCC4=O)c3)ncc2F)c1
• InChI: InChI=1S/C27H28N6O4.C26H27N7O4.C25H25FN6O3.C23H19N7O3.C23H22N6O4.C22H22N6O2.2C21H19FN6O2/c1-3-25(35)33-12-15-37-24-9-6-20(16-23(24)33)29-26-22(18(2)34)17-28-27(31-26)30-19-4-7-21(8-5-19)32-10-13-36-14-11-32;1-3-24(35)33-10-13-37-22-6-4-18(14-21(22)33)29-25-20(17(2)34)16-28-26(31-25)30-19-5-7-23(27-15-19)32-8-11-36-12-9-32;1-2-22(33)28-17-6-3-7-18(14-17)29-24-21(26)16-27-25(31-24)30-19-8-4-9-20(15-19)35-13-12-32-11-5-10-23(32)34;1-4-19(31)27-16-7-6-8-18(11-16)30(21(32)5-2)22-15(12-24)13-26-23(29-22)28-17-9-10-20(33-3)25-14-17;1-4-21(31)29-9-10-33-19-7-5-15(11-18(19)29)26-22-17(14(2)30)13-25-23(28-22)27-16-6-8-20(32-3)24-12-16;1-3-19(29)25-15-5-4-6-16(11-15)26-21-18(14-7-8-14)13-24-22(28-21)27-17-9-10-20(30-2)23-12-17;1-3-19(29)28-11-13-4-5-15(8-14(13)12-28)25-20-17(22)10-24-21(27-20)26-16-6-7-18(30-2)23-9-16;1-3-19(29)28-9-8-13-4-5-14(10-17(13)28)25-20-16(22)12-24-21(27-20)26-15-6-7-18(30-2)23-11-15/h3-9,16-17H,1,10-15H2,2H3,(H2,28,29,30,31);3-7,14-16H,1,8-13H2,2H3,(H2,28,29,30,31);2-4,6-9,14-16H,1,5,10-13H2,(H,28,33)(H2,27,29,30,31);4-11,13-14H,1-2H2,3H3,(H,27,31)(H,26,28,29);4-8,11-13H,1,9-10H2,2-3H3,(H2,25,26,27,28);3-6,9-14H,1,7-8H2,2H3,(H,25,29)(H2,24,26,27,28);3-10H,1,11-12H2,2H3,(H2,24,25,26,27);3-7,10-12H,1,8-9H2,2H3,(H2,24,25,26,27)
• InChIKey: JVBBIUMPFPXRDA-UHFFFAOYSA-N
• XLogP: 29.89
• TPSA: 876.51 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 64
• Rotatable Bonds: 59
• Heavy Atoms: 265
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3581.84
LogP ≤ 5	29.89
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	64

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The IUPAC name of 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide (CID 159032507) is 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide.

What is the SMILES notation for 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The canonical SMILES for 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is C=CC(=O)N1CCOc2ccc(Nc3nc(Nc4ccc(N5CCOCC5)cc4)ncc3C(C)=O)cc21.C=CC(=O)N1CCOc2ccc(Nc3nc(Nc4ccc(N5CCOCC5)nc4)ncc3C(C)=O)cc21.C=CC(=O)N1CCOc2ccc(Nc3nc(Nc4ccc(OC)nc4)ncc3C(C)=O)cc21.C=CC(=O)N1CCc2ccc(Nc3nc(Nc4ccc(OC)nc4)ncc3F)cc21.C=CC(=O)N1Cc2ccc(Nc3nc(Nc4ccc(OC)nc4)ncc3F)cc2C1.C=CC(=O)Nc1cccc(N(C(=O)C=C)c2nc(Nc3ccc(OC)nc3)ncc2C#N)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OC)nc3)ncc2C2CC2)c1.C=CC(=O)Nc1cccc(Nc2nc(Nc3cccc(OCCN4CCCC4=O)c3)ncc2F)c1.

What is the InChIKey of 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

The InChIKey is JVBBIUMPFPXRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4.C26H27N7O4.C25H25FN6O3.C23H19N7O3.C23H22N6O4.C22H22N6O2.2C21H19FN6O2/c1-3-25(35)33-12-15-37-24-9-6-20(16-23(24)33)29-26-22(18(2)34)17-28-27(31-26)30-19-4-7-21(8-5-19)32-10-13-36-14-11-32;1-3-24(35)33-10-13-37-22-6-4-18(14-21(22)33)29-25-20(17(2)34)16-28-26(31-25)30-19-5-7-23(27-15-19)32-8-11-36-12-9-32;1-2-22(33)28-17-6-3-7-18(14-17)29-24-21(26)16-27-25(31-24)30-19-8-4-9-20(15-19)35-13-12-32-11-5-10-23(32)34;1-4-19(31)27-16-7-6-8-18(11-16)30(21(32)5-2)22-15(12-24)13-26-23(29-22)28-17-9-10-20(33-3)25-14-17;1-4-21(31)29-9-10-33-19-7-5-15(11-18(19)29)26-22-17(14(2)30)13-25-23(28-22)27-16-6-8-20(32-3)24-12-16;1-3-19(29)25-15-5-4-6-16(11-15)26-21-18(14-7-8-14)13-24-22(28-21)27-17-9-10-20(30-2)23-12-17;1-3-19(29)28-11-13-4-5-15(8-14(13)12-28)25-20-17(22)10-24-21(27-20)26-16-6-7-18(30-2)23-9-16;1-3-19(29)28-9-8-13-4-5-14(10-17(13)28)25-20-16(22)12-24-21(27-20)26-15-6-7-18(30-2)23-11-15/h3-9,16-17H,1,10-15H2,2H3,(H2,28,29,30,31);3-7,14-16H,1,8-13H2,2H3,(H2,28,29,30,31);2-4,6-9,14-16H,1,5,10-13H2,(H,28,33)(H2,27,29,30,31);4-11,13-14H,1-2H2,3H3,(H,27,31)(H,26,28,29);4-8,11-13H,1,9-10H2,2-3H3,(H2,25,26,27,28);3-6,9-14H,1,7-8H2,2H3,(H,25,29)(H2,24,26,27,28);3-10H,1,11-12H2,2H3,(H2,24,25,26,27);3-7,10-12H,1,8-9H2,2H3,(H2,24,25,26,27).

What are the key properties of 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide?

1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide has a molecular weight of 3581.84 g/mol, XLogP of 29.89, 59 rotatable bonds, 18 hydrogen bond donors, and 64 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[5-acetyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;1-[6-[[5-acetyl-2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydro-1,4-benzoxazin-4-yl]prop-2-en-1-one;N-[3-[[5-cyano-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]-prop-2-enoylamino]phenyl]prop-2-enamide;N-[3-[[5-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[6-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-2,3-dihydroindol-1-yl]prop-2-en-1-one;1-[5-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]-1,3-dihydroisoindol-2-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-[2-(2-oxopyrrolidin-1-yl)ethoxy]anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide is sourced from PubChem (CID 159032507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).